[gmx-users] energy minimization, freeze CA

Berk Hess gmx3 at hotmail.com
Tue Dec 6 15:47:55 CET 2005

>From: "Michal Kolinski" <mkolin at iimcb.gov.pl>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] energy minimization, freeze CA
>Date: Tue, 6 Dec 2005 12:59:30 +0100
>Hi all.
>I have quick question: is there a way to
>freeze protein backbone during energy minimization using new GROMACS 3.3 ?

Use the backbone index group as a freeze group.
See the mdp options manual page.


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